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6-amino-18,19-dimethoxy-4,5,7,9,13-pentaazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,²¹]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one

6-amino-18,19-dimethoxy-4,5,7,9,13-pentaazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,²¹]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one

CAS: 866018-19-1

Formula: C18H18N6O3

SMILES: COC1=CC2=C(C=C1OC)C1CC3=C(C=NC4=NC(N)=NN34)C(=O)N1CC2

IUPAC: 6-amino-18,19-dimethoxy-4,5,7,9,13-pentaazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,²¹]henicosa-3(11),5,7,9,16(21),17,19-heptaen-12-one

InChI: InChI=1/C18H18N6O3/c1-26-14-5-9-3-4-23-12(10(9)6-15(14)27-2)7-13-11(16(23)25)8-20-18-21-17(19)22-24(13)18/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,22)

Composition: C (59.01%), H (4.95%), N (22.94%), O (13.10%)

Molar Mass: 366.381

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 366.144038464
Formal Charge 0
FSP3 0.33
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey JRVFUIXASQQHMX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.94
Topological Polar Surface Area 107.87
Polarizability 36.1
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866018-19-1 $51.35-$86.31$51.35$63.37$86.31
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