3-[4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid

Systemtic Name: 3-[4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NN=C(C)C3=C(OC(=C3)CCC(=O)O)C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N/N=C(/C)\C3=C(OC(=C3)CCC(=O)O)C)C

InChI

InChI=1S/C18H20N4O3S/c1-9-12(4)26-18-16(9)17(19-8-20-18)22-21-10(2)14-7-13(25-11(14)3)5-6-15(23)24/h7-8H,5-6H2,1-4H3,(H,23,24)(H,19,20,22)/b21-10-