1,7-dicyclopropyl-5-(2-oxidanylidenecyclohexyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,7-dicyclopropyl-5-(2-oxidanylidenecyclohexyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-(2-oxocyclohexyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-[(2-oxocyclohexyl)thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-(2-oxocyclohexyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-[(2-ketocyclohexyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5

InChI

InChI=1S/C18H20N4O3S/c23-11-3-1-2-4-12(11)26-17-13-15(19-14(20-17)9-5-6-9)22(10-7-8-10)18(25)21-16(13)24/h9-10,12H,1-8H2,(H,21,24,25)