methyl 5-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 5-[1-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxycarbonyl-propyl]thiophene-2-carboxylate CAS Name: 5-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-methoxy-1-oxobutan-2-yl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxobutan-2-yl]thiophene-2-carboxylate Traditional Name: 5-[1-carbomethoxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]thiophene-2-carboxylic acid methyl ester Formula: C18H20N6O4S MolecularWeight: 416.4542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(S3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)(C3=CC=C(S3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H20N6O4S/c1-4-18(16(26)28-3,11-6-5-10(29-11)15(25)27-2)7-9-8-21-14-12(22-9)13(19)23-17(20)24-14/h5-6,8H,4,7H2,1-3H3,(H4,19,20,21,23,24)