methyl 2-[[4-[1-[2,4-bis(azanyl)pteridin-6-yl]propan-2-yl]phenyl]carbonylamino]-5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate

Systemtic Name: methyl 2-[[4-[1-[2,4-bis(azanyl)pteridin-6-yl]propan-2-yl]phenyl]carbonylamino]-5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate Openeye Name: methyl 2-[[4-[2-(2,4-diaminopteridin-6-yl)-1-methyl-ethyl]benzoyl]amino]-5-(1,3-dioxoisoindolin-2-yl)pentanoate CAS Name: 2-[[[4-[1-(2,4-diamino-6-pteridinyl)propan-2-yl]phenyl]-oxomethyl]amino]-5-(1,3-dioxo-2-isoindolyl)pentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[1-(2,4-diaminopteridin-6-yl)propan-2-yl]benzoyl]amino]-5-(1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: 2-[[4-[2-(2,4-diaminopteridin-6-yl)-1-methyl-ethyl]benzoyl]amino]-5-phthalimido-valeric acid methyl ester Formula: C30H30N8O5 MolecularWeight: 582.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCCN4C(=O)C5=CC=CC=C5C4=O)C(=O)OC

Isomeric SMILES

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCCN4C(=O)C5=CC=CC=C5C4=O)C(=O)OC

InChI

InChI=1S/C30H30N8O5/c1-16(14-19-15-33-25-23(34-19)24(31)36-30(32)37-25)17-9-11-18(12-10-17)26(39)35-22(29(42)43-2)8-5-13-38-27(40)20-6-3-4-7-21(20)28(38)41/h3-4,6-7,9-12,15-16,22H,5,8,13-14H2,1-2H3,(H,35,39)(H4,31,32,33,36,37)