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

Systemtic Name: 4-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-methyl-amino]cyclohexan-1-ol Openeye Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methyl-amino]cyclohexanol CAS Name: 4-[[4-(3-bromoanilino)-6-pyrimido[5,4-d]pyrimidinyl]-methylamino]-1-cyclohexanol IUPAC Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]cyclohexan-1-ol Traditional Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-methyl-amino]cyclohexanol Formula: C19H21BrN6O MolecularWeight: 429.31364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN6O/c1-26(14-5-7-15(27)8-6-14)19-21-10-16-17(25-19)18(23-11-22-16)24-13-4-2-3-12(20)9-13/h2-4,9-11,14-15,27H,5-8H2,1H3,(H,22,23,24)