1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-7-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-dimethyl-7-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H28N6O3S/c1-4-8-17-24-20-19(22(31)27(3)23(32)26(20)2)21(25-17)33-15-18(30)29-13-11-28(12-14-29)16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-15H2,1-3H3