6-chloranyl-2-(2-methylimidazol-1-yl)-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-2-(2-methylimidazol-1-yl)-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-chloro-2-(2-methylimidazol-1-yl)-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-chloro-2-(2-methyl-1-imidazolyl)-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-chloro-2-(2-methylimidazol-1-yl)-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [6-chloro-2-(2-methylimidazol-1-yl)thieno[2,3-d]pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C17H13ClN6O2S MolecularWeight: 400.84212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)Cl)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CN1C2=NC(=C3C=C(SC3=N2)Cl)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN6O2S/c1-10-19-5-6-23(10)17-21-15(13-8-14(18)27-16(13)22-17)20-9-11-3-2-4-12(7-11)24(25)26/h2-8H,9H2,1H3,(H,20,21,22)