N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(1,3-benzodioxol-5-yl)-N-propyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(1,3-benzodioxol-5-yl)-N-propyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(1,3-benzodioxol-5-yl)-N-propyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(1,3-benzodioxol-5-yl)-N-propylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(1,3-benzodioxol-5-yl)-N-propylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-(1,3-benzodioxol-5-yl)-N-propyl-propionamide Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)CCC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C21H28N4O5/c1-3-5-11-25-19(22)18(20(27)23-21(25)28)24(10-4-2)17(26)9-7-14-6-8-15-16(12-14)30-13-29-15/h6,8,12H,3-5,7,9-11,13,22H2,1-2H3,(H,23,27,28)