4-[[4-[(3-phenylmethoxyphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[4-[(3-phenylmethoxyphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[4-(3-benzyloxyanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol CAS Name: 4-[[4-(3-phenylmethoxyanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[4-(3-phenylmethoxyanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[4-(3-benzoxyanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CC(CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C25H26N6O2/c32-20-11-9-18(10-12-20)30-25-26-14-22-23(31-25)24(28-16-27-22)29-19-7-4-8-21(13-19)33-15-17-5-2-1-3-6-17/h1-8,13-14,16,18,20,32H,9-12,15H2,(H,26,30,31)(H,27,28,29)