2-azanyl-5-nitroso-6-[3-(4-phenylmethoxyphenoxy)propylamino]-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-nitroso-6-[3-(4-phenylmethoxyphenoxy)propylamino]-1H-pyrimidin-4-one Openeye Name: 2-amino-6-[3-(4-benzyloxyphenoxy)propylamino]-5-nitroso-1H-pyrimidin-4-one CAS Name: 2-amino-5-nitroso-6-[3-(4-phenylmethoxyphenoxy)propylamino]-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-nitroso-6-[3-(4-phenylmethoxyphenoxy)propylamino]-1H-pyrimidin-4-one Traditional Name: 2-amino-6-[3-(4-benzoxyphenoxy)propylamino]-5-nitroso-1H-pyrimidin-4-one Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCNC3=C(C(=O)N=C(N3)N)N=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCNC3=C(C(=O)N=C(N3)N)N=O

InChI

InChI=1S/C20H21N5O4/c21-20-23-18(17(25-27)19(26)24-20)22-11-4-12-28-15-7-9-16(10-8-15)29-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H4,21,22,23,24,26)