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

Systemtic Name: 2-[[4-[(3-bromophenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 2-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 2-[[4-(3-bromoanilino)-6-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 2-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 2-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C15H15BrN6O MolecularWeight: 375.2232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN6O/c1-9(7-23)20-15-17-6-12-13(22-15)14(19-8-18-12)21-11-4-2-3-10(16)5-11/h2-6,8-9,23H,7H2,1H3,(H,17,20,22)(H,18,19,21)