N2-cyclohexyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N8-(phenylmethyl)pyrimido[5,4-d]pyrimidine-2,8-diamine

Systemtic Name: N2-cyclohexyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N8-(phenylmethyl)pyrimido[5,4-d]pyrimidine-2,8-diamine Openeye Name: N8-benzyl-N2-cyclohexyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidine-2,8-diamine CAS Name: N2-cyclohexyl-4-(1-oxo-1,4-thiazinan-4-yl)-N8-(phenylmethyl)pyrimido[5,4-d]pyrimidine-2,8-diamine IUPAC Name: 8-N-benzyl-2-N-cyclohexyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidine-2,8-diamine Traditional Name: benzyl-[2-(cyclohexylamino)-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]amine Formula: C23H29N7OS MolecularWeight: 451.58766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3NCC5=CC=CC=C5

InChI

InChI=1S/C23H29N7OS/c31-32-13-11-30(12-14-32)22-20-19(28-23(29-22)27-18-9-5-2-6-10-18)21(26-16-25-20)24-15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2,(H,24,25,26)(H,27,28,29)