N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-acetamide Formula: C22H32ClN5O3S MolecularWeight: 482.03918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CN(CC=C)CC2=CC=C(S2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CN(CC=C)CC2=CC=C(S2)Cl)N

InChI

InChI=1S/C22H32ClN5O3S/c1-4-7-12-27(19-20(24)28(13-8-5-2)22(31)25-21(19)30)18(29)15-26(11-6-3)14-16-9-10-17(23)32-16/h6,9-10H,3-5,7-8,11-15,24H2,1-2H3,(H,25,30,31)