N-[4-[[3-(phenylmethyl)benzotriazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[[3-(phenylmethyl)benzotriazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide Openeye Name: N-[4-[(3-benzylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide CAS Name: N-[4-[[3-(phenylmethyl)-5-benzotriazolyl]amino]-6-pyrido[3,4-d]pyrimidinyl]-2-propenamide IUPAC Name: N-[4-[(3-benzylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-enamide Traditional Name: N-[4-[(3-benzylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]acrylamide Formula: C23H18N8O MolecularWeight: 422.44202

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=NN4CC5=CC=CC=C5

Isomeric SMILES

C=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=NN4CC5=CC=CC=C5

InChI

InChI=1S/C23H18N8O/c1-2-22(32)28-21-11-17-19(12-24-21)25-14-26-23(17)27-16-8-9-18-20(10-16)31(30-29-18)13-15-6-4-3-5-7-15/h2-12,14H,1,13H2,(H,24,28,32)(H,25,26,27)