7-chloranyl-N-prop-2-ynyl-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-chloranyl-N-prop-2-ynyl-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-chloro-N-prop-2-ynyl-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-2-amine CAS Name: 7-chloro-N-prop-2-ynyl-5-(2-pyrimidinyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-chloro-N-prop-2-ynyl-5-pyrimidin-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: [7-chloro-5-(2-pyrimidyl)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C16H12ClN5 MolecularWeight: 309.75298

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=NC=CC=N3

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=NC=CC=N3

InChI

InChI=1S/C16H12ClN5/c1-2-6-18-14-10-21-15(16-19-7-3-8-20-16)12-9-11(17)4-5-13(12)22-14/h1,3-5,7-9H,6,10H2,(H,18,22)