2,3-dimethoxy-6-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]-4-piperidin-4-yl-5-propyl-benzamide hydrate

Systemtic Name: 2,3-dimethoxy-6-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]-4-piperidin-4-yl-5-propyl-benzamide hydrate Openeye Name: 2,3-dimethoxy-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-4-(4-piperidyl)-5-propyl-benzamide hydrate CAS Name: 2,3-dimethoxy-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-4-(4-piperidinyl)-5-propylbenzamide hydrate IUPAC Name: 2,3-dimethoxy-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-4-piperidin-4-yl-5-propylbenzamide hydrate Traditional Name: 2-[(6-keto-1H-pyrimidin-2-yl)amino]-5,6-dimethoxy-4-(4-piperidyl)-3-propyl-benzamide hydrate Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1NC2=NC=CC(=O)N2)C(=O)N)OC)OC)C3CCNCC3.O

Isomeric SMILES

CCCC1=C(C(=C(C(=C1NC2=NC=CC(=O)N2)C(=O)N)OC)OC)C3CCNCC3.O

InChI

InChI=1S/C21H29N5O4.H2O/c1-4-5-13-15(12-6-9-23-10-7-12)18(29-2)19(30-3)16(20(22)28)17(13)26-21-24-11-8-14(27)25-21;/h8,11-12,23H,4-7,9-10H2,1-3H3,(H2,22,28)(H2,24,25,26,27);1H2