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N-(benzyloxy)-N'-{thieno[2,3-d]pyrimidin-4-yl}methanimidamide

N-(benzyloxy)-N'-{thieno[2,3-d]pyrimidin-4-yl}methanimidamide

CAS: 478247-96-0

Formula: C14H12N4OS

SMILES: C(ONC=NC1=C2C=CSC2=NC=N1)C1=CC=CC=C1

IUPAC: N-(benzyloxy)-N'-{thieno[2,3-d]pyrimidin-4-yl}methanimidamide

InChI: InChI=1S/C14H12N4OS/c1-2-4-11(5-3-1)8-19-18-10-16-13-12-6-7-20-14(12)17-9-15-13/h1-7,9-10H,8H2,(H,15,16,17,18)

Composition: C (59.14%), H (4.25%), N (19.70%), O (5.63%), S (11.28%)

Molar Mass: 284.34

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 284.073182196
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey BHCGDTYDYBZBJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.47
Topological Polar Surface Area 59.4
Polarizability 29.88
Ring Count 3
Rotatable Bond Count 4

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