6-chloranyl-3-(2-pyrrolidin-1-ylethyl)-1,2-dihydroquinazolin-4-one; ethanedioic acid

Systemtic Name: 6-chloranyl-3-(2-pyrrolidin-1-ylethyl)-1,2-dihydroquinazolin-4-one; ethanedioic acid Openeye Name: 6-chloro-3-(2-pyrrolidin-1-ylethyl)-1,2-dihydroquinazolin-4-one; oxalic acid CAS Name: 6-chloro-3-[2-(1-pyrrolidinyl)ethyl]-1,2-dihydroquinazolin-4-one; oxalic acid IUPAC Name: 6-chloro-3-(2-pyrrolidin-1-ylethyl)-1,2-dihydroquinazolin-4-one; oxalic acid Traditional Name: 6-chloro-3-(2-pyrrolidinoethyl)-1,2-dihydroquinazolin-4-one; oxalic acid Formula: C16H20ClN3O5 MolecularWeight: 369.8001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CNC3=C(C2=O)C=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCN2CNC3=C(C2=O)C=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18ClN3O.C2H2O4/c15-11-3-4-13-12(9-11)14(19)18(10-16-13)8-7-17-5-1-2-6-17;3-1(4)2(5)6/h3-4,9,16H,1-2,5-8,10H2;(H,3,4)(H,5,6)