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

Systemtic Name: 6-azanyl-1-butyl-5-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentyl-amino]pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentyl-amino]pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentylamino]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-pentylamino]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[amyl-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]amino]-1-butyl-pyrimidine-2,4-quinone Formula: C22H31N6O3+ MolecularWeight: 427.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC(=O)[N+]2=CC=CC=C2N1)C3=C(N(C(=O)NC3=O)CCCC)N

Isomeric SMILES

CCCCCN(CC1=CC(=O)[N+]2=CC=CC=C2N1)C3=C(N(C(=O)NC3=O)CCCC)N

InChI

InChI=1S/C22H30N6O3/c1-3-5-8-11-26(15-16-14-18(29)27-13-9-7-10-17(27)24-16)19-20(23)28(12-6-4-2)22(31)25-21(19)30/h7,9-10,13-14H,3-6,8,11-12,15H2,1-2H3,(H3,23,25,30,31)/p+1