N-methyl-3-(1H-pyrazol-4-yl)-5-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine

Systemtic Name: N-methyl-3-(1H-pyrazol-4-yl)-5-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Openeye Name: N-methyl-3-(1H-pyrazol-4-yl)-5-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine CAS Name: N-methyl-3-(1H-pyrazol-4-yl)-5-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine IUPAC Name: N-methyl-3-(1H-pyrazol-4-yl)-5-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepin-2-amine Traditional Name: methyl-[3-(1H-pyrazol-4-yl)-5-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-yl]amine Formula: C16H14N6S MolecularWeight: 322.38756

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=CC=N2)C(=NC1C3=CNN=C3)C4=CC=CS4

Isomeric SMILES

CNC1=NC2=C(C=CC=N2)C(=NC1C3=CNN=C3)C4=CC=CS4

InChI

InChI=1S/C16H14N6S/c1-17-16-13(10-8-19-20-9-10)21-14(12-5-3-7-23-12)11-4-2-6-18-15(11)22-16/h2-9,13H,1H3,(H,19,20)(H,17,18,22)