6-[1-azanylbutyl-(4-nitrophenyl)amino]-1,3-dimethyl-pyrimidine-2,4-dione; cyclopropane; hydrochloride

Systemtic Name: 6-[1-azanylbutyl-(4-nitrophenyl)amino]-1,3-dimethyl-pyrimidine-2,4-dione; cyclopropane; hydrochloride Openeye Name: 6-[N-(1-aminobutyl)-4-nitro-anilino]-1,3-dimethyl-pyrimidine-2,4-dione; cyclopropane; hydrochloride CAS Name: 6-[N-(1-aminobutyl)-4-nitroanilino]-1,3-dimethylpyrimidine-2,4-dione; cyclopropane; hydrochloride IUPAC Name: 6-[N-(1-aminobutyl)-4-nitroanilino]-1,3-dimethylpyrimidine-2,4-dione; cyclopropane; hydrochloride Traditional Name: 6-[N-(1-aminobutyl)-4-nitro-anilino]-1,3-dimethyl-pyrimidine-2,4-quinone; cyclopropane; hydrochloride Formula: C19H28ClN5O4 MolecularWeight: 425.90972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N)N(C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=O)N(C(=O)N2C)C.C1CC1.Cl

Isomeric SMILES

CCCC(N)N(C1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=O)N(C(=O)N2C)C.C1CC1.Cl

InChI

InChI=1S/C16H21N5O4.C3H6.ClH/c1-4-5-13(17)20(11-6-8-12(9-7-11)21(24)25)14-10-15(22)19(3)16(23)18(14)2;1-2-3-1;/h6-10,13H,4-5,17H2,1-3H3;1-3H2;1H