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

Systemtic Name: 4,6-bis(azanyl)-7-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4,6-diamino-7-(m-tolylmethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4,6-diamino-7-[(3-methylphenyl)methyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4,6-diamino-7-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4,6-diamino-7-(3-methylbenzyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C15H14N6 MolecularWeight: 278.31186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=C(C3=C2N=CN=C3N)C#N)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(C3=C2N=CN=C3N)C#N)N

InChI

InChI=1S/C15H14N6/c1-9-3-2-4-10(5-9)7-21-14(18)11(6-16)12-13(17)19-8-20-15(12)21/h2-5,8H,7,18H2,1H3,(H2,17,19,20)