[10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate

Systemtic Name: [10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxidanylidene-pyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate Openeye Name: [10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxo-pyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate CAS Name: carbonic acid [10-[(2,3-dimethyl-1-oxopentyl)amino]-7-methyl-4-oxo-3-pyrimido[2,1-a]isoquinolinyl] ester IUPAC Name: [10-(2,3-dimethylpentanoylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [10-(2,3-dimethylpentanoylamino)-4-keto-7-methyl-pyrimid[2,1-a]isoquinolin-3-yl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)C(=CN3C2=NC=C(C3=O)OC(=O)O)C

Isomeric SMILES

CCC(C)C(C)C(=O)NC1=CC2=C(C=C1)C(=CN3C2=NC=C(C3=O)OC(=O)O)C

InChI

InChI=1S/C21H23N3O5/c1-5-11(2)13(4)19(25)23-14-6-7-15-12(3)10-24-18(16(15)8-14)22-9-17(20(24)26)29-21(27)28/h6-11,13H,5H2,1-4H3,(H,23,25)(H,27,28)