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

Systemtic Name: 4-[2-chloranyl-8-(naphthalen-1-ylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[2-chloro-8-(1-naphthylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[2-chloro-8-(1-naphthalenylmethylthio)-4-pyrimido[5,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[2-chloro-8-(naphthalen-1-ylmethylsulfanyl)pyrimido[5,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[2-chloro-8-(1-naphthylmethylthio)pyrimido[5,4-d]pyrimidin-4-yl]morpholine Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

C1COCCN1C2=NC(=NC3=C2N=CN=C3SCC4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C21H18ClN5OS/c22-21-25-18-17(19(26-21)27-8-10-28-11-9-27)23-13-24-20(18)29-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,13H,8-12H2