methanesulfonic acid; 3-methyl-4-oxidanylidene-2-phenyl-N-propyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)chromene-8-carboxamide

Systemtic Name: methanesulfonic acid; 3-methyl-4-oxidanylidene-2-phenyl-N-propyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)chromene-8-carboxamide Openeye Name: methanesulfonic acid; 3-methyl-4-oxo-2-phenyl-N-propyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)chromene-8-carboxamide CAS Name: methanesulfonic acid; 3-methyl-4-oxo-2-phenyl-N-propyl-N-[4-(2-pyrimidinyl)-1-piperazinyl]-1-benzopyran-8-carboxamide IUPAC Name: methanesulfonic acid; 3-methyl-4-oxo-2-phenyl-N-propyl-N-(4-pyrimidin-2-ylpiperazin-1-yl)chromene-8-carboxamide Traditional Name: 4-keto-3-methyl-2-phenyl-N-propyl-N-[4-(2-pyrimidyl)piperazino]chromene-8-carboxamide; mesylic acid Formula: C29H33N5O6S MolecularWeight: 579.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3)N4CCN(CC4)C5=NC=CC=N5.CS(=O)(=O)O

Isomeric SMILES

CCCN(C(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3)N4CCN(CC4)C5=NC=CC=N5.CS(=O)(=O)O

InChI

InChI=1S/C28H29N5O3.CH4O3S/c1-3-15-33(32-18-16-31(17-19-32)28-29-13-8-14-30-28)27(35)23-12-7-11-22-24(34)20(2)25(36-26(22)23)21-9-5-4-6-10-21;1-5(2,3)4/h4-14H,3,15-19H2,1-2H3;1H3,(H,2,3,4)