5,6-dimethyl-4-(3-methylphenyl)sulfanyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-(3-methylphenyl)sulfanyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-5,6-dimethyl-4-(m-tolylsulfanyl)pyrrolo[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[(3-methylphenyl)thio]-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-5,6-dimethyl-4-(3-methylphenyl)sulfanylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-5,6-dimethyl-4-(m-tolylthio)pyrrolo[2,3-d]pyrimidine Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=NC3=C2C(=C(N3CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=NC3=C2C(=C(N3CC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H21N3S/c1-15-8-7-11-19(12-15)26-22-20-16(2)17(3)25(21(20)23-14-24-22)13-18-9-5-4-6-10-18/h4-12,14H,13H2,1-3H3