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

Systemtic Name: 3-[[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Openeye Name: 3-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]propan-1-ol CAS Name: 3-[[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Traditional Name: 3-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]propan-1-ol Formula: C16H16BrN5O MolecularWeight: 374.23514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NCCCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NCCCO

InChI

InChI=1S/C16H16BrN5O/c17-11-3-1-4-12(7-11)22-16-13-8-15(18-5-2-6-23)19-9-14(13)20-10-21-16/h1,3-4,7-10,23H,2,5-6H2,(H,18,19)(H,20,21,22)