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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-pentyl-ethanamide Openeye Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-pentylacetamide Traditional Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-acetamide Formula: C23H34ClN5O3S MolecularWeight: 496.06576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C23H34ClN5O3S/c1-4-7-9-14-28(20-21(25)29(13-8-5-2)23(32)26-22(20)31)19(30)16-27(12-6-3)15-17-10-11-18(24)33-17/h6,10-11H,3-5,7-9,12-16,25H2,1-2H3,(H,26,31,32)