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

Systemtic Name: 5-chloranyl-6-methyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-chloro-2-isoxazol-5-yl-6-methyl-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-chloro-2-(5-isoxazolyl)-6-methyl-N-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-chloro-2-isoxazol-5-yl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C17H12ClN5O3S MolecularWeight: 401.82688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C3=CC=NO3)NCC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C3=CC=NO3)NCC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN5O3S/c1-9-14(18)13-16(19-8-10-3-2-4-11(7-10)23(24)25)21-15(22-17(13)27-9)12-5-6-20-26-12/h2-7H,8H2,1H3,(H,19,21,22)