2-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol

Systemtic Name: 2-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol Openeye Name: 2-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol CAS Name: 2-[[4-(3-bromoanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-2-methyl-1-propanol IUPAC Name: 2-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-1-ol Traditional Name: 2-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methyl-propan-1-ol Formula: C16H17BrN6O MolecularWeight: 389.24978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(CO)NC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H17BrN6O/c1-16(2,8-24)23-15-18-7-12-13(22-15)14(20-9-19-12)21-11-5-3-4-10(17)6-11/h3-7,9,24H,8H2,1-2H3,(H,18,22,23)(H,19,20,21)