methyl (3R,7S)-3-pentyl-7-prop-2-enyl-1-sulfanylidene-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

Systemtic Name: methyl (3R,7S)-3-pentyl-7-prop-2-enyl-1-sulfanylidene-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate Openeye Name: methyl (3R,7S)-7-allyl-3-pentyl-1-thioxo-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate CAS Name: (3R,7S)-3-pentyl-7-prop-2-enyl-1-sulfanylidene-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,7S)-3-pentyl-7-prop-2-enyl-1-sulfanylidene-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate Traditional Name: (3R,7S)-7-allyl-3-amyl-1-thioxo-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C2CCC(N2C(=S)N1)CC=C)C(=O)OC

Isomeric SMILES

CCCCC[C@@H]1C(=C2CC[C@H](N2C(=S)N1)CC=C)C(=O)OC

InChI

InChI=1S/C17H26N2O2S/c1-4-6-7-9-13-15(16(20)21-3)14-11-10-12(8-5-2)19(14)17(22)18-13/h5,12-13H,2,4,6-11H2,1,3H3,(H,18,22)/t12-,13-/m1/s1