(Z)-but-2-enedioic acid; 4-methoxy-2-methyl-N-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]pyrimidine-5-carboxamide

Systemtic Name: (Z)-but-2-enedioic acid; 4-methoxy-2-methyl-N-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]pyrimidine-5-carboxamide Openeye Name: N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxy-2-methyl-pyrimidine-5-carboxamide; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-methoxy-2-methyl-N-[[1-(phenylmethyl)-2-pyrrolidinyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxy-2-methylpyrimidine-5-carboxamide; (Z)-but-2-enedioic acid Traditional Name: N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxy-2-methyl-pyrimidine-5-carboxamide; maleic acid Formula: C50H60N8O16 MolecularWeight: 1029.0554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC3=CC=CC=C3.CC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC3=CC=CC=C3.CC1=NC=C(C(=N1)OC)C(=O)NCC2N(CCC2)CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/2C19H24N4O2.3C4H4O4/c2*1-14-20-12-17(19(22-14)25-2)18(24)21-11-16-9-6-10-23(16)13-15-7-4-3-5-8-15;3*5-3(6)1-2-4(7)8/h2*3-5,7-8,12,16H,6,9-11,13H2,1-2H3,(H,21,24);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1-