4-phenyl-5-thiophen-2-yl-3,5,6,11-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one

Systemtic Name: 4-phenyl-5-thiophen-2-yl-3,5,6,11-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one Openeye Name: 4-phenyl-5-(2-thienyl)-3,5,6,11-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one CAS Name: 4-phenyl-5-thiophen-2-yl-3,5,6,11-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one IUPAC Name: 4-phenyl-5-thiophen-2-yl-3,5,6,11-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one Traditional Name: 4-phenyl-5-(2-thienyl)-3,5,6,11-tetrahydropyrimido[5,4-c][1,5]benzodiazepin-2-one Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(NC4=CC=CC=C4NC3=NC(=O)N2)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(NC4=CC=CC=C4NC3=NC(=O)N2)C5=CC=CS5

InChI

InChI=1S/C21H16N4OS/c26-21-24-18(13-7-2-1-3-8-13)17-19(16-11-6-12-27-16)22-14-9-4-5-10-15(14)23-20(17)25-21/h1-12,19,22H,(H2,23,24,25,26)