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2-[azanyl-[9-(4-methoxyphenyl)purin-6-yl]methylidene]propanedinitrile

2-[azanyl-[9-(4-methoxyphenyl)purin-6-yl]methylidene]propanedinitrile

Systemtic Name:2-[azanyl-[9-(4-methoxyphenyl)purin-6-yl]methylidene]propanedinitrile
Openeye Name:2-[amino-[9-(4-methoxyphenyl)purin-6-yl]methylene]propanedinitrile
CAS Name:2-[amino-[9-(4-methoxyphenyl)-6-purinyl]methylidene]propanedinitrile
IUPAC Name:2-[amino-[9-(4-methoxyphenyl)purin-6-yl]methylidene]propanedinitrile
Traditional Name:2-[amino-[9-(4-methoxyphenyl)purin-6-yl]methylene]malononitrile
Formula: C16H11N7O
MolecularWeight: 317.30484
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C(=C(C#N)C#N)N


Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C(=C(C#N)C#N)N


InChI

InChI=1S/C16H11N7O/c1-24-12-4-2-11(3-5-12)23-9-22-15-14(20-8-21-16(15)23)13(19)10(6-17)7-18/h2-5,8-9H,19H2,1H3


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