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

Systemtic Name: 10-(cyclohexylcarbonylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinoline-3-carboxylic acid Openeye Name: 10-(cyclohexanecarbonylamino)-7-methyl-4-oxo-pyrimido[2,1-a]isoquinoline-3-carboxylic acid CAS Name: 10-[[cyclohexyl(oxo)methyl]amino]-7-methyl-4-oxo-3-pyrimido[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 10-(cyclohexanecarbonylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid Traditional Name: 10-(cyclohexanecarbonylamino)-4-keto-7-methyl-pyrimid[2,1-a]isoquinoline-3-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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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)C4CCCCC4

Isomeric SMILES

CC1=CN2C(=NC=C(C2=O)C(=O)O)C3=C1C=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H21N3O4/c1-12-11-24-18(22-10-17(20(24)26)21(27)28)16-9-14(7-8-15(12)16)23-19(25)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,25)(H,27,28)