4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(sulfinatoamino)phenyl]sulfanyl-quinazoline

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(sulfinatoamino)phenyl]sulfanyl-quinazoline Openeye Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(sulfinatoamino)phenyl]sulfanyl-quinazoline CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[4-(sulfinatoamino)phenyl]thio]quinazoline IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(sulfinatoamino)phenyl]sulfanylquinazoline Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[4-(sulfinatoamino)phenyl]thio]quinazoline Formula: C18H15N6O2S2- MolecularWeight: 411.4807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NS(=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)NS(=O)[O-]

InChI

InChI=1S/C18H16N6O2S2/c1-11-10-16(23-22-11)20-17-14-4-2-3-5-15(14)19-18(21-17)27-13-8-6-12(7-9-13)24-28(25)26/h2-10,24H,1H3,(H,25,26)(H2,19,20,21,22,23)/p-1