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

Systemtic Name: 7-methyl-1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-one hydrochloride Openeye Name: 7-methyl-1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-thioxo-pyrimido[4,5-d]pyrimidin-4-one hydrochloride CAS Name: 7-methyl-1-phenyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-sulfanylidene-4-pyrimido[4,5-d]pyrimidinone hydrochloride IUPAC Name: 7-methyl-1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidenepyrimido[4,5-d]pyrimidin-4-one hydrochloride Traditional Name: 7-methyl-1-phenyl-3-[3-(4-phenylpiperazino)propyl]-2-thioxo-pyrimido[4,5-d]pyrimidin-4-one hydrochloride Formula: C26H29ClN6OS MolecularWeight: 509.06606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C(=N1)N(C(=S)N(C2=O)CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=NC=C2C(=N1)N(C(=S)N(C2=O)CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

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