3-[5-chloranyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[5-chloranyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[5-chloro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[5-chloro-6-methyl-2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[5-chloro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[5-chloro-6-methyl-2-(4-methylpiperazino)pyrimidin-4-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1Cl)C2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43)N5CCN(CC5)C

Isomeric SMILES

CC1=NC(=NC(=C1Cl)C2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43)N5CCN(CC5)C

InChI

InChI=1S/C22H21ClN6O2/c1-12-18(23)19(26-22(25-12)29-9-7-28(2)8-10-29)17-16(20(30)27-21(17)31)14-11-24-15-6-4-3-5-13(14)15/h3-6,11,24H,7-10H2,1-2H3,(H,27,30,31)