4-[2-chloranyl-8-(naphthalen-1-ylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholin-2-ol

Systemtic Name: 4-[2-chloranyl-8-(naphthalen-1-ylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholin-2-ol Openeye Name: 4-[2-chloro-8-(1-naphthylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholin-2-ol CAS Name: 4-[2-chloro-8-(1-naphthalenylmethylthio)-4-pyrimido[5,4-d]pyrimidinyl]-2-thiomorpholinol IUPAC Name: 4-[2-chloro-8-(naphthalen-1-ylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholin-2-ol Traditional Name: 4-[2-chloro-8-(1-naphthylmethylthio)pyrimido[5,4-d]pyrimidin-4-yl]thiomorpholin-2-ol Formula: C21H18ClN5OS2 MolecularWeight: 455.98352

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC5=CC=CC=C54)Cl)O

Isomeric SMILES

C1CSC(CN1C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC5=CC=CC=C54)Cl)O

InChI

InChI=1S/C21H18ClN5OS2/c22-21-25-18-17(19(26-21)27-8-9-29-16(28)10-27)23-12-24-20(18)30-11-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12,16,28H,8-11H2