ethyl 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-3-(1-naphthyl)-2-thioxo-thiazole-5-carboxylate CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-3-(1-naphthalenyl)-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-3-(1-naphthyl)-2-thioxo-4-thiazoline-5-carboxylic acid ethyl ester Formula: C20H16N6O4S2 MolecularWeight: 468.50884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC3=CC=CC=C32)NC4=NC=NC(=C4[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC3=CC=CC=C32)NC4=NC=NC(=C4[N+](=O)[O-])N

InChI

InChI=1S/C20H16N6O4S2/c1-2-30-19(27)15-18(24-17-14(26(28)29)16(21)22-10-23-17)25(20(31)32-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H3,21,22,23,24)