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N-(5-nitropyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

N-(5-nitropyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name:N-(5-nitropyrimidin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide
Openeye Name:N-(5-nitropyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide
CAS Name:N-(5-nitro-2-pyrimidinyl)-4-oxo-1H-quinazoline-2-carbothioamide
IUPAC Name:N-(5-nitropyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide
Traditional Name:4-keto-N-(5-nitropyrimidin-2-yl)-1H-quinazoline-2-carbothioamide
Formula: C13H8N6O3S
MolecularWeight: 328.30602
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=C(C=N3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=C(C=N3)[N+](=O)[O-]


InChI

InChI=1S/C13H8N6O3S/c20-11-8-3-1-2-4-9(8)16-10(17-11)12(23)18-13-14-5-7(6-15-13)19(21)22/h1-6H,(H,16,17,20)(H,14,15,18,23)


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