7-methyl-4-oxidanylidene-10-[3-(pyridin-3-ylcarbonylamino)propanoylamino]pyrimido[2,1-a]isoquinoline-3-carboxylic acid

Systemtic Name: 7-methyl-4-oxidanylidene-10-[3-(pyridin-3-ylcarbonylamino)propanoylamino]pyrimido[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 7-methyl-4-oxo-10-[3-(pyridine-3-carbonylamino)propanoylamino]pyrimido[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 7-methyl-4-oxo-10-[[1-oxo-3-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]-3-pyrimido[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 7-methyl-4-oxo-10-[3-(pyridine-3-carbonylamino)propanoylamino]pyrimido[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 4-keto-7-methyl-10-(3-nicotinamidopropanoylamino)pyrimid[2,1-a]isoquinoline-3-carboxylic acid Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC=C(C2=O)C(=O)O)C3=C1C=CC(=C3)NC(=O)CCNC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CN2C(=NC=C(C2=O)C(=O)O)C3=C1C=CC(=C3)NC(=O)CCNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H19N5O5/c1-13-12-28-20(26-11-18(22(28)31)23(32)33)17-9-15(4-5-16(13)17)27-19(29)6-8-25-21(30)14-3-2-7-24-10-14/h2-5,7,9-12H,6,8H2,1H3,(H,25,30)(H,27,29)(H,32,33)