methyl 6-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[[2,4-bis(azanyl)pteridin-6-yl]methyl]-1-methoxy-1-oxidanylidene-butan-2-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[1-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxycarbonyl-propyl]pyridine-3-carboxylate CAS Name: 6-[2-[(2,4-diamino-6-pteridinyl)methyl]-1-methoxy-1-oxobutan-2-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxobutan-2-yl]pyridine-3-carboxylate Traditional Name: 6-[1-carbomethoxy-1-[(2,4-diaminopteridin-6-yl)methyl]propyl]nicotinic acid methyl ester Formula: C19H21N7O4 MolecularWeight: 411.41454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O4/c1-4-19(17(28)30-3,12-6-5-10(8-22-12)16(27)29-2)7-11-9-23-15-13(24-11)14(20)25-18(21)26-15/h5-6,8-9H,4,7H2,1-3H3,(H4,20,21,23,25,26)