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

Systemtic Name: 4-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol CAS Name: 4-[[4-(3-bromoanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexanol Formula: C18H19BrN6O MolecularWeight: 415.28706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O/c19-11-2-1-3-13(8-11)23-17-16-15(21-10-22-17)9-20-18(25-16)24-12-4-6-14(26)7-5-12/h1-3,8-10,12,14,26H,4-7H2,(H,20,24,25)(H,21,22,23)