N-[6-azanyl-2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[6-azanyl-2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N6O4S/c1-4-23(5-2)9-10-29-18-21-15(19)14(17(26)22-18)20-16(25)12-7-6-8-13(11(12)3)24(27)28/h6-8H,4-5,9-10H2,1-3H3,(H,20,25)(H3,19,21,22,26)