6-azanyl-5-[1,3-benzodioxol-5-ylmethyl(3-methylbutyl)amino]-1-butyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[1,3-benzodioxol-5-ylmethyl(3-methylbutyl)amino]-1-butyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[1,3-benzodioxol-5-ylmethyl(isopentyl)amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1,3-benzodioxol-5-ylmethyl(3-methylbutyl)amino]-1-butylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[1,3-benzodioxol-5-ylmethyl(3-methylbutyl)amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[isoamyl(piperonyl)amino]pyrimidine-2,4-quinone Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C21H30N4O4/c1-4-5-9-25-19(22)18(20(26)23-21(25)27)24(10-8-14(2)3)12-15-6-7-16-17(11-15)29-13-28-16/h6-7,11,14H,4-5,8-10,12-13,22H2,1-3H3,(H,23,26,27)