4-[(3-bromophenyl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide

Systemtic Name: 4-[(3-bromophenyl)amino]-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide Openeye Name: 4-(3-bromoanilino)-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide CAS Name: 4-(3-bromoanilino)-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide IUPAC Name: 4-(3-bromoanilino)-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide Traditional Name: 4-(3-bromoanilino)-1,2,8,8a-tetrahydropyrido[3,4-d]pyrimidine-2-carboxamide Formula: C14H14BrN5O MolecularWeight: 348.19786

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=CC=N1)C(=NC(N2)C(=O)N)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1C2C(=CC=N1)C(=NC(N2)C(=O)N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C14H14BrN5O/c15-8-2-1-3-9(6-8)18-13-10-4-5-17-7-11(10)19-14(20-13)12(16)21/h1-6,11,14,19H,7H2,(H2,16,21)(H,18,20)