N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-imidazol-1-yl-pent-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-5-imidazol-1-yl-pent-2-ynamide Openeye Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-imidazol-1-yl-pent-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]-5-(1-imidazolyl)-2-pentynamide IUPAC Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-imidazol-1-ylpent-2-ynamide Traditional Name: N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-imidazol-1-yl-pent-2-ynamide Formula: C21H16BrN7O MolecularWeight: 462.30204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NC(=O)C#CCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)NC(=O)C#CCCN4C=CN=C4

InChI

InChI=1S/C21H16BrN7O/c22-15-4-3-5-16(10-15)27-21-17-11-19(24-12-18(17)25-13-26-21)28-20(30)6-1-2-8-29-9-7-23-14-29/h3-5,7,9-14H,2,8H2,(H,24,28,30)(H,25,26,27)