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

Systemtic Name: [10-(2,3-dimethylpentanoylamino)-4-oxidanylidene-pyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate Openeye Name: [10-(2,3-dimethylpentanoylamino)-4-oxo-pyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate CAS Name: carbonic acid [10-[(2,3-dimethyl-1-oxopentyl)amino]-4-oxo-3-pyrimido[2,1-a]isoquinolinyl] ester IUPAC Name: [10-(2,3-dimethylpentanoylamino)-4-oxopyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [10-(2,3-dimethylpentanoylamino)-4-keto-pyrimid[2,1-a]isoquinolin-3-yl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-4-11(2)12(3)18(24)22-14-6-5-13-7-8-23-17(15(13)9-14)21-10-16(19(23)25)28-20(26)27/h5-12H,4H2,1-3H3,(H,22,24)(H,26,27)