7-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 7-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 7-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidin-4-one CAS Name: 7-methyl-1-phenyl-2-[3-(4-phenyl-1-piperazinyl)propylthio]-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 7-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 7-methyl-1-phenyl-2-[3-(4-phenylpiperazino)propylthio]pyrimido[4,5-d]pyrimidin-4-one Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C(=N1)N(C(=NC2=O)SCCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC=C2C(=N1)N(C(=NC2=O)SCCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-20-27-19-23-24(28-20)32(22-11-6-3-7-12-22)26(29-25(23)33)34-18-8-13-30-14-16-31(17-15-30)21-9-4-2-5-10-21/h2-7,9-12,19H,8,13-18H2,1H3