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

Systemtic Name: 5-chloranyl-6-methyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-(1-pyrazolyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-chloro-6-methyl-2-pyrazol-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=C(C2=C(N=C(N=C2S1)N3C=CC=N3)NCC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)N3C=CC=N3)NCC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

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