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

Systemtic Name: 3-methyl-5-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-3-methyl-5-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-5-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-5-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)N3CCCC(C3)C)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)N3CCCC(C3)C)C(=O)N(C1=O)C

InChI

InChI=1S/C21H31N5O3S/c1-6-9-26-18-16(20(28)24(5)21(26)29)19(23-17(22-18)13(2)3)30-12-15(27)25-10-7-8-14(4)11-25/h13-14H,6-12H2,1-5H3