6-methyl-5-phenyl-4-[(phenylmethyl)amino]pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 6-methyl-5-phenyl-4-[(phenylmethyl)amino]pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(benzylamino)-6-methyl-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-methyl-5-phenyl-4-[(phenylmethyl)amino]-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 4-(benzylamino)-6-methyl-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(benzylamino)-6-methyl-5-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H17N5 MolecularWeight: 339.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C(=NC=N2)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C(=NC=N2)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H17N5/c1-15-18(12-22)19-20(26(15)17-10-6-3-7-11-17)21(25-14-24-19)23-13-16-8-4-2-5-9-16/h2-11,14H,13H2,1H3,(H,23,24,25)