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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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