ethyl 5-methyl-4-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(allylamino)-2-[(allylamino)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(allylamino)-2-[(allylamino)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CNCC=C)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CNCC=C)NCC=C)C

InChI

InChI=1S/C17H22N4O2S/c1-5-8-18-10-12-20-15(19-9-6-2)13-11(4)14(17(22)23-7-3)24-16(13)21-12/h5-6,18H,1-2,7-10H2,3-4H3,(H,19,20,21)