7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-5-phenyl-4-[4-(2-thienylmethyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine CAS Name: 7-(3-chloro-4-methylphenyl)-5-phenyl-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(3-chloro-4-methylphenyl)-5-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine Traditional Name: 7-(3-chloro-4-methyl-phenyl)-5-phenyl-4-[4-(2-thenyl)piperazino]pyrrolo[2,3-d]pyrimidine Formula: C28H26ClN5S MolecularWeight: 500.05754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)CC5=CC=CS5)C6=CC=CC=C6)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)CC5=CC=CS5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C28H26ClN5S/c1-20-9-10-22(16-25(20)29)34-18-24(21-6-3-2-4-7-21)26-27(30-19-31-28(26)34)33-13-11-32(12-14-33)17-23-8-5-15-35-23/h2-10,15-16,18-19H,11-14,17H2,1H3