(E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide

Systemtic Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide Openeye Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide CAS Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)-6-pyrido[3,4-d]pyrimidinyl]-2-butenamide IUPAC Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide Traditional Name: (E)-N-[4-(2H-benzotriazol-4-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide Formula: C17H14N8O MolecularWeight: 346.34606

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC4=NNN=C43

Isomeric SMILES

C/C=C/C(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC4=NNN=C43

InChI

InChI=1S/C17H14N8O/c1-2-4-15(26)22-14-7-10-13(8-18-14)19-9-20-17(10)21-11-5-3-6-12-16(11)24-25-23-12/h2-9H,1H3,(H,18,22,26)(H,19,20,21)(H,23,24,25)/b4-2+