2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(diethylamino)propyl]-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(diethylamino)propyl]-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(diethylamino)propyl]-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(diethylamino)propyl]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(diethylamino)propyl]-4-methylpyrimidine-5-carboxamide Traditional Name: N-[3-(diethylamino)propyl]-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CN=C(N=C1C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H29N5O3/c1-4-26(5-2)10-6-9-22-20(27)17-13-24-21(25-15(17)3)23-12-16-7-8-18-19(11-16)29-14-28-18/h7-8,11,13H,4-6,9-10,12,14H2,1-3H3,(H,22,27)(H,23,24,25)