butan-1-amine; 1-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenoxy]propan-2-ol

Systemtic Name: butan-1-amine; 1-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenoxy]propan-2-ol Openeye Name: butan-1-amine; 1-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol CAS Name: 1-butanamine; 1-[4-(2,4,7-triamino-6-pteridinyl)phenoxy]-2-propanol IUPAC Name: butan-1-amine; 1-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol Traditional Name: butylamine; 1-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol Formula: C19H28N8O2 MolecularWeight: 400.47802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC(COC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N)O

Isomeric SMILES

CCCCN.CC(COC1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N)O

InChI

InChI=1S/C15H17N7O2.C4H11N/c1-7(23)6-24-9-4-2-8(3-5-9)10-12(16)20-14-11(19-10)13(17)21-15(18)22-14;1-2-3-4-5/h2-5,7,23H,6H2,1H3,(H6,16,17,18,20,21,22);2-5H2,1H3