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

Systemtic Name: 5,6-dimethyl-7-(phenylmethyl)-4-(4-propan-2-ylphenyl)sulfanyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-(4-isopropylphenyl)sulfanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-7-(phenylmethyl)-4-[(4-propan-2-ylphenyl)thio]pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-5,6-dimethyl-4-(4-propan-2-ylphenyl)sulfanylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-5,6-dimethyl-4-(p-cumenylthio)pyrrolo[2,3-d]pyrimidine Formula: C24H25N3S MolecularWeight: 387.5404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)SC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)SC3=CC=C(C=C3)C(C)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H25N3S/c1-16(2)20-10-12-21(13-11-20)28-24-22-17(3)18(4)27(23(22)25-15-26-24)14-19-8-6-5-7-9-19/h5-13,15-16H,14H2,1-4H3