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

Systemtic Name: 5-chloranyl-6-methyl-N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-(2-pyrazinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-chloro-6-methyl-N-[(3-nitrophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (5-chloro-6-methyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-yl)-(3-nitrobenzyl)amine Formula: C18H13ClN6O2S MolecularWeight: 412.85282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN6O2S/c1-10-15(19)14-17(22-8-11-3-2-4-12(7-11)25(26)27)23-16(24-18(14)28-10)13-9-20-5-6-21-13/h2-7,9H,8H2,1H3,(H,22,23,24)