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

Systemtic Name: 4-[[4-[(3-ethynylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-methyl-amino]cyclohexan-1-ol Openeye Name: 4-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methyl-amino]cyclohexanol CAS Name: 4-[[4-(3-ethynylanilino)-6-pyrimido[5,4-d]pyrimidinyl]-methylamino]-1-cyclohexanol IUPAC Name: 4-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]cyclohexan-1-ol Traditional Name: 4-[[4-(3-ethynylanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methyl-amino]cyclohexanol Formula: C21H22N6O MolecularWeight: 374.43898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)O)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#C

Isomeric SMILES

CN(C1CCC(CC1)O)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C21H22N6O/c1-3-14-5-4-6-15(11-14)25-20-19-18(23-13-24-20)12-22-21(26-19)27(2)16-7-9-17(28)10-8-16/h1,4-6,11-13,16-17,28H,7-10H2,2H3,(H,23,24,25)