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2-amino-4-{[(4-methoxyphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyrimidine-5-carbonitrile

2-amino-4-{[(4-methoxyphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyrimidine-5-carbonitrile

CAS: 478067-20-8

Formula: C17H14N4OS2

SMILES: COC1=CC=C(CSC2=C(C#N)C(=NC(N)=N2)C2=CC=CS2)C=C1

IUPAC: 2-amino-4-{[(4-methoxyphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyrimidine-5-carbonitrile

InChI: InChI=1S/C17H14N4OS2/c1-22-12-6-4-11(5-7-12)10-24-16-13(9-18)15(20-17(19)21-16)14-3-2-8-23-14/h2-8H,10H2,1H3,(H2,19,20,21)

Composition: C (57.61%), H (3.98%), N (15.81%), O (4.51%), S (18.09%)

Molar Mass: 354.45

Atom Count: 38

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 354.060903435
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SCCJBQKMASXTGW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.94
Topological Polar Surface Area 84.82
Polarizability 38.15
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478067-20-8 $51.35-$524.40$51.35$63.37$86.31$524.40
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