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

Systemtic Name: 5-chloranyl-2-imidazol-1-yl-6-methyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-chloro-2-imidazol-1-yl-6-methyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-chloro-2-(1-imidazolyl)-6-methyl-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-chloro-2-imidazol-1-yl-6-methyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-chloro-2-imidazol-1-yl-6-methyl-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=C(C2=C(N=C(N=C2S1)N3C=CN=C3)NCC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)N3C=CN=C3)NCC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

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