N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H31N5O3/c1-3-5-12-26(19-20(23)27(11-4-2)22(30)24-21(19)29)18(28)15-25-13-10-16-8-6-7-9-17(16)14-25/h6-9H,3-5,10-15,23H2,1-2H3,(H,24,29,30)