2-[[2-[(4-butylphenyl)amino]pteridin-4-yl]amino]ethanol

Systemtic Name: 2-[[2-[(4-butylphenyl)amino]pteridin-4-yl]amino]ethanol Openeye Name: 2-[[2-(4-butylanilino)pteridin-4-yl]amino]ethanol CAS Name: 2-[[2-(4-butylanilino)-4-pteridinyl]amino]ethanol IUPAC Name: 2-[[2-(4-butylanilino)pteridin-4-yl]amino]ethanol Traditional Name: 2-[[2-(4-butylanilino)pteridin-4-yl]amino]ethanol Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=NC=CN=C3C(=N2)NCCO

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=NC=CN=C3C(=N2)NCCO

InChI

InChI=1S/C18H22N6O/c1-2-3-4-13-5-7-14(8-6-13)22-18-23-16-15(19-9-10-20-16)17(24-18)21-11-12-25/h5-10,25H,2-4,11-12H2,1H3,(H2,20,21,22,23,24)