butan-2-yloxycarbonyl 4-[1-[2,4-bis(azanyl)pteridin-6-yl]pent-4-yn-2-yl]benzoate

Systemtic Name: butan-2-yloxycarbonyl 4-[1-[2,4-bis(azanyl)pteridin-6-yl]pent-4-yn-2-yl]benzoate Openeye Name: sec-butoxycarbonyl 4-[1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoate CAS Name: 4-[1-(2,4-diamino-6-pteridinyl)pent-4-yn-2-yl]benzoic acid [butan-2-yloxy(oxo)methyl] ester IUPAC Name: butan-2-yloxycarbonyl 4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoate Traditional Name: 4-[1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoic acid sec-butoxycarbonyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O4/c1-4-6-16(11-17-12-26-20-18(27-17)19(24)28-22(25)29-20)14-7-9-15(10-8-14)21(30)33-23(31)32-13(3)5-2/h1,7-10,12-13,16H,5-6,11H2,2-3H3,(H4,24,25,26,28,29)