2-methylpropoxycarbonyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]benzoate

Systemtic Name: 2-methylpropoxycarbonyl 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: isobutoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoate CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]benzoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoic acid isobutoxycarbonyl ester Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

CC(C)COC(=O)OC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C20H23N7O4/c1-11(2)10-30-20(29)31-18(28)12-4-6-14(7-5-12)27(3)9-13-8-23-17-15(24-13)16(21)25-19(22)26-17/h4-8,11H,9-10H2,1-3H3,(H4,21,22,23,25,26)