2-ethylsulfanyl-6-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-butan-2-yl]pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 2-ethylsulfanyl-6-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-butan-2-yl]pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 2-ethylsulfanyl-6-[(1R)-1-(4-methylpiperidine-1-carbonyl)propyl]pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2-(ethylthio)-6-[(2R)-1-(4-methyl-1-piperidinyl)-1-oxobutan-2-yl]-5-pyrimido[4,5-d]pyrimidinone IUPAC Name: 2-ethylsulfanyl-6-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 2-(ethylthio)-6-[(1R)-1-(4-methylpiperidine-1-carbonyl)propyl]pyrimido[4,5-d]pyrimidin-5-one Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C)N2C=NC3=NC(=NC=C3C2=O)SCC

Isomeric SMILES

CC[C@H](C(=O)N1CCC(CC1)C)N2C=NC3=NC(=NC=C3C2=O)SCC

InChI

InChI=1S/C18H25N5O2S/c1-4-14(17(25)22-8-6-12(3)7-9-22)23-11-20-15-13(16(23)24)10-19-18(21-15)26-5-2/h10-12,14H,4-9H2,1-3H3/t14-/m1/s1