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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CCSC2=CC=C(C=C2)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CCSC2=CC=C(C=C2)OC)N

InChI

InChI=1S/C22H32N4O4S/c1-4-6-13-25(18(27)12-15-31-17-10-8-16(30-3)9-11-17)19-20(23)26(14-7-5-2)22(29)24-21(19)28/h8-11H,4-7,12-15,23H2,1-3H3,(H,24,28,29)