7-[(4-aminophenyl)methyl]-4,6-bis(azanyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 7-[(4-aminophenyl)methyl]-4,6-bis(azanyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4,6-diamino-7-[(4-aminophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4,6-diamino-7-[(4-aminophenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4,6-diamino-7-[(4-aminophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4,6-diamino-7-(4-aminobenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C14H13N7 MolecularWeight: 279.29992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=C(C3=C2N=CN=C3N)C#N)N)N

Isomeric SMILES

C1=CC(=CC=C1CN2C(=C(C3=C2N=CN=C3N)C#N)N)N

InChI

InChI=1S/C14H13N7/c15-5-10-11-12(17)19-7-20-14(11)21(13(10)18)6-8-1-3-9(16)4-2-8/h1-4,7H,6,16,18H2,(H2,17,19,20)