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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O6/c1-13-4-2-5-14(12-13)19(27)23-10-3-11-24(18(23)17(26)22-9-8-21)20(28)15-6-7-16(31-15)25(29)30/h2,4-7,12,18H,3,8-11,21H2,1H3,(H,22,26)