6-azanyl-1-butyl-5-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-propyl-amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-propyl-amino]pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-propyl-amino]pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-propylamino]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-propylamino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[(7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-propyl-amino]pyrimidine-2,4-quinone Formula: C20H26ClN6O3+ MolecularWeight: 433.91184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)N

InChI

InChI=1S/C20H25ClN6O3/c1-3-5-9-26-18(22)17(19(29)24-20(26)30)25(8-4-2)12-14-10-16(28)27-11-13(21)6-7-15(27)23-14/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H3,22,24,29,30)/p+1