2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[7-hexyl-3-methyl-2,4-bis(oxidanylidene)-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(7-hexyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: 2-[(7-hexyl-3-methyl-2,4-dioxo-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-prop-2-enylacetamide IUPAC Name: 2-(7-hexyl-3-methyl-2,4-dioxo-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(7-hexyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCC(=O)NCC=C)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCC(=O)NCC=C)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C21H31N5O3S/c1-5-8-9-10-11-15-23-18-17(19(24-15)30-14-16(27)22-12-6-2)20(28)25(4)21(29)26(18)13-7-3/h6H,2,5,7-14H2,1,3-4H3,(H,22,27)