6-cyclopentyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione

Systemtic Name: 6-cyclopentyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Openeye Name: 6-cyclopentyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione CAS Name: 6-cyclopentyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione IUPAC Name: 6-cyclopentyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione Traditional Name: 6-cyclopentyl-1-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-quinone Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C[NH+](CN3)C4CCCC4)C(=O)NC2=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C[NH+](CN3)C4CCCC4)C(=O)NC2=O

InChI

InChI=1S/C18H22N4O3/c1-25-14-8-6-13(7-9-14)22-16-15(17(23)20-18(22)24)10-21(11-19-16)12-4-2-3-5-12/h6-9,12,19H,2-5,10-11H2,1H3,(H,20,23,24)/p+1