N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-3-(5-nitrofuran-2-yl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-(5-nitrofuran-2-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-3-[(5-nitro-2-furanyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-3-(5-nitrofuran-2-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-nitro-2-furoyl)-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6/c1-13-3-5-14(6-4-13)19(27)23-11-2-12-24(18(23)17(26)22-10-9-21)20(28)15-7-8-16(31-15)25(29)30/h3-8,18H,2,9-12,21H2,1H3,(H,22,26)