3-(4-methoxyphenyl)-4-methyl-1-(4-oxidanylcyclohexyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-1-(4-oxidanylcyclohexyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-1-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-1-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-1-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-1-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CN=C(N=C2N(C(=O)N1C3=CC=C(C=C3)OC)C4CCC(CC4)O)NC5=CC=CC=C5

Isomeric SMILES

CC1C2=CN=C(N=C2N(C(=O)N1C3=CC=C(C=C3)OC)C4CCC(CC4)O)NC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O3/c1-17-23-16-27-25(28-18-6-4-3-5-7-18)29-24(23)31(20-8-12-21(32)13-9-20)26(33)30(17)19-10-14-22(34-2)15-11-19/h3-7,10-11,14-17,20-21,32H,8-9,12-13H2,1-2H3,(H,27,28,29)