6-chloranyl-N4-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]pyrimidine-2,4,5-triamine

Systemtic Name: 6-chloranyl-N4-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]pyrimidine-2,4,5-triamine Openeye Name: N4-[4-benzyloxy-3-(benzyloxymethyl)butyl]-6-chloro-pyrimidine-2,4,5-triamine CAS Name: 6-chloro-N4-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]pyrimidine-2,4,5-triamine IUPAC Name: 6-chloro-4-N-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]pyrimidine-2,4,5-triamine Traditional Name: [4-benzoxy-3-(benzoxymethyl)butyl]-(2,5-diamino-6-chloro-pyrimidin-4-yl)amine Formula: C23H28ClN5O2 MolecularWeight: 441.95372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCNC2=C(C(=NC(=N2)N)Cl)N)COCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COCC(CCNC2=C(C(=NC(=N2)N)Cl)N)COCC3=CC=CC=C3

InChI

InChI=1S/C23H28ClN5O2/c24-21-20(25)22(29-23(26)28-21)27-12-11-19(15-30-13-17-7-3-1-4-8-17)16-31-14-18-9-5-2-6-10-18/h1-10,19H,11-16,25H2,(H3,26,27,28,29)