6-azanyl-1-butyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methyl-amino]pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methyl-amino]pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-methyl-amino]pyrimidine-2,4-quinone Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)N2CCC3=CC=CC=C3C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)N2CCC3=CC=CC=C3C2)N

InChI

InChI=1S/C20H27N5O3/c1-3-4-10-25-18(21)17(19(27)22-20(25)28)23(2)13-16(26)24-11-9-14-7-5-6-8-15(14)12-24/h5-8H,3-4,9-13,21H2,1-2H3,(H,22,27,28)