4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5,7-diphenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5,7-diphenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-5,7-diphenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5,7-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(3S)-3-methyl-4-(m-tolyl)piperazino]-5,7-diphenyl-pyrrolo[2,3-d]pyrimidine Formula: C30H29N5 MolecularWeight: 459.58476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC=NC4=C3C(=CN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C3=NC=NC4=C3C(=CN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5/c1-22-10-9-15-26(18-22)34-17-16-33(19-23(34)2)29-28-27(24-11-5-3-6-12-24)20-35(30(28)32-21-31-29)25-13-7-4-8-14-25/h3-15,18,20-21,23H,16-17,19H2,1-2H3/t23-/m0/s1