N2-cyclopropyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine-2,8-diamine

Systemtic Name: N2-cyclopropyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine-2,8-diamine Openeye Name: N2-cyclopropyl-5-(4-fluorophenyl)-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepine-2,8-diamine CAS Name: N2-cyclopropyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine-2,8-diamine IUPAC Name: 2-N-cyclopropyl-5-(4-fluorophenyl)-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine-2,8-diamine Traditional Name: [8-amino-5-(4-fluorophenyl)-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepin-2-yl]-cyclopropyl-amine Formula: C21H18FN5S MolecularWeight: 391.464523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC3=C(C=CC(=N3)N)C(=NC2C4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CC1NC2=NC3=C(C=CC(=N3)N)C(=NC2C4=CC=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H18FN5S/c22-13-5-3-12(4-6-13)18-15-9-10-17(23)25-20(15)27-21(24-14-7-8-14)19(26-18)16-2-1-11-28-16/h1-6,9-11,14,19H,7-8H2,(H3,23,24,25,27)