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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#C)O

Isomeric SMILES

CC1(CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC=CC(=C4)C#C)O

InChI

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