N-[4-(2H-benzotriazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide

Systemtic Name: N-[4-(2H-benzotriazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide Openeye Name: N-[4-(2H-benzotriazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide CAS Name: N-[4-(2H-benzotriazol-5-ylamino)-6-pyrido[3,4-d]pyrimidinyl]-2-butynamide IUPAC Name: N-[4-(2H-benzotriazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide Traditional Name: N-[4-(2H-benzotriazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide Formula: C17H12N8O MolecularWeight: 344.33018

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=NNN=C4C=C3

Isomeric SMILES

CC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C17H12N8O/c1-2-3-16(26)22-15-7-11-14(8-18-15)19-9-20-17(11)21-10-4-5-12-13(6-10)24-25-23-12/h4-9H,1H3,(H,18,22,26)(H,19,20,21)(H,23,24,25)