2-[3-azanyl-5-(thiophen-2-ylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-azanyl-5-(thiophen-2-ylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[3-amino-5-(2-thienylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[3-amino-5-(thiophen-2-ylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[3-amino-5-(thiophen-2-ylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[3-amino-5-(2-thenyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C3=C(NN=C3N)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C3=C(NN=C3N)CC4=CC=CS4

InChI

InChI=1S/C16H13N5OS/c17-14-13(12(20-21-14)8-9-4-3-7-23-9)15-18-11-6-2-1-5-10(11)16(22)19-15/h1-7H,8H2,(H3,17,20,21)(H,18,19,22)