ethyl 5-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenoxy]pentanoate

Systemtic Name: ethyl 5-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenoxy]pentanoate Openeye Name: ethyl 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoate CAS Name: 5-[4-(2,4,7-triamino-6-pteridinyl)phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]pentanoate Traditional Name: 5-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]valeric acid ethyl ester Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N

InChI

InChI=1S/C19H23N7O3/c1-2-28-13(27)5-3-4-10-29-12-8-6-11(7-9-12)14-16(20)24-18-15(23-14)17(21)25-19(22)26-18/h6-9H,2-5,10H2,1H3,(H6,20,21,22,24,25,26)