4-(3,5-dimethylphenyl)sulfanyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(3,5-dimethylphenyl)sulfanyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(3,5-dimethylphenyl)sulfanyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(3,5-dimethylphenyl)thio]-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(3,5-dimethylphenyl)sulfanyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-[(3,5-dimethylphenyl)thio]-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H19N3OS/c1-13-8-14(2)10-17(9-13)26-21-18-11-19(24-20(18)22-12-23-21)15-4-6-16(25-3)7-5-15/h4-12H,1-3H3,(H,22,23,24)